2-(3,4-Dihydroxyphenyl)-5-(beta-D-Glucopyranosyloxy)-6,7-Dihydroxy-4H-1-Benzopyran-4-One
[CAS# 80007-06-3]

Identification

• Name: 2-(3,4-Dihydroxyphenyl)-5-(beta-D-Glucopyranosyloxy)-6,7-Dihydroxy-4H-1-Benzopyran-4-One
• Synonyms: 2-(3,4-Dihydroxyphenyl)-6,7-Dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Chromen-4-One; 2-(3,4-Dihydroxyphenyl)-6,7-Dihydroxy-5-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-4-Chromenone; 2-(3,4-Dihydroxyphenyl)-6,7-Dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-Chromone
• Molecular Formula: C₂₁H₂₀O₁₂
• Molecular Weight: 464.38
• CAS Registry Number: 80007-06-3
• SMILES: [C@@H]4(OC1=C2C(=CC(=C1O)O)OC(=CC2=O)C3=CC=C(O)C(=C3)O)O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)CO
• InChI: 1S/C21H20O12/c22-6-14-17(28)18(29)19(30)21(32-14)33-20-15-10(25)4-12(7-1-2-8(23)9(24)3-7)31-13(15)5-11(26)16(20)27/h1-5,14,17-19,21-24,26-30H,6H2/t14-,17-,18+,19-,21+/m1/s1
• InChIKey: XJHWBSXROLODMH-VPRICQMDSA-N

Properties

• Density: 1.786g/cm³ (Cal.)
• Boiling point: 914.049°C at 760 mmHg (Cal.)
• Flash point: 321.561°C (Cal.)